2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol

C9H20N2O — CID 64787802

IUPAC2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
SMILESCN(CC(N)CO)CC1CCC1
InChIInChI=1S/C9H20N2O/c1-11(6-9(10)7-12)5-8-3-2-4-8/h8-9,12H,2-7,10H2,1H3
InChIKeyDCVSOGABQKZKJP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds5

About 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol

2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol (PubChem CID 64787802) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
PubChem CID64787802
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
SMILESCN(CC(N)CO)CC1CCC1
InChIInChI=1S/C9H20N2O/c1-11(6-9(10)7-12)5-8-3-2-4-8/h8-9,12H,2-7,10H2,1H3
InChIKeyDCVSOGABQKZKJP-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053
3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64787425
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol (CID 64787802) is 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol is CN(CC(N)CO)CC1CCC1.
What is the InChIKey of 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol?
The InChIKey is DCVSOGABQKZKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(6-9(10)7-12)5-8-3-2-4-8/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol?
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 64787802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).